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Home > Indoles and Oxindole > 36257-55-3
36257-55-3 | 2-[2-(piperidin-1-ylsulfonyl)ethyl]-1H-isoindole-1,3(2H)-dione
CAS No: 36257-55-3 Catalog No: AG00JCZ4 MDL No:MFCD08339556
Product Description
Catalog Number:
AG00JCZ4
Chemical Name:
2-[2-(piperidin-1-ylsulfonyl)ethyl]-1H-isoindole-1,3(2H)-dione
CAS Number:
36257-55-3
Molecular Formula:
C15H18N2O4S
Molecular Weight:
322.3794
MDL Number:
MFCD08339556
IUPAC Name:
2-(2-piperidin-1-ylsulfonylethyl)isoindole-1,3-dione
InChI:
InChI=1S/C15H18N2O4S/c18-14-12-6-2-3-7-13(12)15(19)17(14)10-11-22(20,21)16-8-4-1-5-9-16/h2-3,6-7H,1,4-5,8-11H2
InChI Key:
XXJZMAPQYRMERJ-UHFFFAOYSA-N
SMILES:
O=C1N(CCS(=O)(=O)N2CCCCC2)C(=O)c2c1cccc2
Properties
Complexity:
524
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.099g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
322.379g/mol
Monoisotopic Mass:
322.099g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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